Ornidazole Impurity 29

CAT: 1299-RM-O181429-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-O181429-01Size:10 mg

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CAS Number

110578-70-6

Synonyms

N- (3-chloro-2-hydroxypropyl) -5-methyl-1,2,4-oxadiazole-3-carboxamide

Molecular Formula

C7H10ClN3O3

Molecular Weight

219.63

Target Alternative Name

Ornidazole

Product Name Synonym

N- (3-chloro-2-hydroxypropyl) -5-methyl-1,2,4-oxadiazole-3-carboxamide

Chemical Information

Ornidazole Impurity 29

CAS Number	110578-70-6
PubChem CID	13722964
IUPAC Name	N-(3-chloro-2-hydroxypropyl)-5-methyl-1,2,4-oxadiazole-3-carboxamide
Molecular Formula	C7H10ClN3O3
Molecular Weight	219.62
XLogP	0.1
Topological Polar Surface Area	88.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	205

SMILES

CC1=NC(=NO1)C(=O)NCC(CCl)O

InChI

InChI=1S/C7H10ClN3O3/c1-4-10-6(11-14-4)7(13)9-3-5(12)2-8/h5,12H,2-3H2,1H3,(H,9,13)

InChIKey

BQIIWDDXQDXWCH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 110578-70-6

CID: 13722964

Formula: C7H10ClN3O3

MW: 219.62

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	219.62
XLogP3	0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	219.0410689
Monoisotopic Mass	219.0410689
Topological Polar Surface Area	88.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	205
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes